2-(5-tert-butyl-1H-pyrazol-4-yl)-3-(2-chloranyl-4-fluoranyl-phenyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-(5-tert-butyl-1H-pyrazol-4-yl)-3-(2-chloranyl-4-fluoranyl-phenyl)-1,2-dihydroquinazolin-4-one Openeye Name: 2-(5-tert-butyl-1H-pyrazol-4-yl)-3-(2-chloro-4-fluoro-phenyl)-1,2-dihydroquinazolin-4-one CAS Name: 2-(5-tert-butyl-1H-pyrazol-4-yl)-3-(2-chloro-4-fluorophenyl)-1,2-dihydroquinazolin-4-one IUPAC Name: 2-(5-tert-butyl-1H-pyrazol-4-yl)-3-(2-chloro-4-fluorophenyl)-1,2-dihydroquinazolin-4-one Traditional Name: 2-(5-tert-butyl-1H-pyrazol-4-yl)-3-(2-chloro-4-fluoro-phenyl)-1,2-dihydroquinazolin-4-one Formula: C21H20ClFN4O MolecularWeight: 398.861103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=NN1)C2NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CC(C)(C)C1=C(C=NN1)C2NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H20ClFN4O/c1-21(2,3)18-14(11-24-26-18)19-25-16-7-5-4-6-13(16)20(28)27(19)17-9-8-12(23)10-15(17)22/h4-11,19,25H,1-3H3,(H,24,26)